2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H21NO4 — CID 3119934

IUPAC2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CCCO1
InChIInChI=1S/C13H21NO4/c15-12(14-8-9-4-3-7-18-9)10-5-1-2-6-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyYVVSNSZUJWTKKY-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.17
Rot. Bonds4

About 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 3119934) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID3119934
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CCCO1
InChIInChI=1S/C13H21NO4/c15-12(14-8-9-4-3-7-18-9)10-5-1-2-6-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyYVVSNSZUJWTKKY-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
(1S,2R,3R,4S)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716251
4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62783252
2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835049
1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 18072457
(1S,4R)-3-(oxolan-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 91654657

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 3119934) is 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is YVVSNSZUJWTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(14-8-9-4-3-7-18-9)10-5-1-2-6-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3119934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).